CID 16772649

3-(4-aminopiperidine-1-carbonyl)phenol hydrochloride

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1CN(CCC1N)C(=O)C2=CC(=CC=C2)O
InChI
InChI=1S/C12H16N2O2/c13-10-4-6-14(7-5-10)12(16)9-2-1-3-11(15)8-9/h1-3,8,10,15H,4-7,13H2
InChIKey
HJZOTHOBKPQVMR-UHFFFAOYSA-N
Compound name
(4-aminopiperidin-1-yl)-(3-hydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 150.1
[M+Na]+ 243.110408 155.1
[M-H]- 219.113914 153.2
[M+NH4]+ 238.155013 165.6
[M+K]+ 259.084348 151.9
[M+H-H2O]+ 203.118450 142.5
[M+HCOO]- 265.119391 168.1
[M+CH3COO]- 279.135041 187.2
[M+Na-2H]- 241.095856 152.6
[M]+ 220.12064142 143.4
[M]- 220.12173858 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.